4-butyl-1H-pyrazole-5-carboxamide

C8H13N3O — CID 141158124

IUPAC4-butyl-1H-pyrazole-5-carboxamide
SMILESCCCCc1cn[nH]c1C(N)=O
InChIInChI=1S/C8H13N3O/c1-2-3-4-6-5-10-11-7(6)8(9)12/h5H,2-4H2,1H3,(H2,9,12)(H,10,11)
InChIKeyNAKLJEZDCGNPPM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.85
Rot. Bonds4

About 4-butyl-1H-pyrazole-5-carboxamide

4-butyl-1H-pyrazole-5-carboxamide (PubChem CID 141158124) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-butyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-butyl-1H-pyrazole-5-carboxamide
PubChem CID141158124
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-butyl-1H-pyrazole-5-carboxamide
SMILESCCCCc1cn[nH]c1C(N)=O
InChIInChI=1S/C8H13N3O/c1-2-3-4-6-5-10-11-7(6)8(9)12/h5H,2-4H2,1H3,(H2,9,12)(H,10,11)
InChIKeyNAKLJEZDCGNPPM-UHFFFAOYSA-N
XLogP0.85
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-butyl-1H-pyrazole-5-carboxamide (CID 141158124) is 4-butyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-butyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-butyl-1H-pyrazole-5-carboxamide is CCCCc1cn[nH]c1C(N)=O.
What is the InChIKey of 4-butyl-1H-pyrazole-5-carboxamide?
The InChIKey is NAKLJEZDCGNPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-4-6-5-10-11-7(6)8(9)12/h5H,2-4H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of 4-butyl-1H-pyrazole-5-carboxamide?
4-butyl-1H-pyrazole-5-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141158124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).